In silico screening of phytogenic compounds against Rhizoctonia solani trehalase enzyme

The trehalase enzyme of Rhizoctonia solani is the target site for validamycin, a common fungicide used controlling sheath blight disease rice. However, rampant use validamycin has resulted in emergence resistance necessitating search newer molecules. Thus, molecular docking analysis was carried out to screen phytogenic compounds with high inhibitory effect. 3-dimensional structure protein generated by Swiss-model using sequence information available UniProt database (entry no. L8WUM1). Eighteen from plants previously reported have antagonistic effect against R. were selected study. Molecular Autodock 4.2 showed that compounds, Cycloartenol (− 8.64), β-Sitosterol 8.58), Nimbiol 8.29), Nimbandiol 7.32), Menthone 7.31), Nimbin 7.22) had binding energies whereas energy − 4.08. Among these, Nimbiol, Nimbandiol, Menthone, obeying all Tice rule criteria and appeared be good candidates solani.